Cherry Y. Yates a écrit :
DEAR Developer,Do you have any suggestions for compiling a parallel version of SIESTA using LAM-MPI? I always got the following error messages: rdiag.o(.text+0x2a77): In function `rdiag_': : undefined reference to `blacs_gridinit__' libscalapack.a(descinit.o)(.text+0x54): In function `descinit_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ....... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry
Hi Cherry,First of all, I think you should stop trying to compile Siesta using LAM-MPI which actually an old and unmaintained version of OpenMPI (just check the web site http://www.lam-mpi.org/) therefore change for OpenMPI or Mpich instead, this will be a first step forward
in your compilation process to avoid trouble during your next parallel jobs.Furthermore to get help for the compilation process itself you can read the small howto
attached to this email. Best Sébastien Le Roux -- ==================================================== Sébastien Le Roux Doctorant LPMC-Institut C. Gerhardt UMR 5253 CC003 Université de Montpellier II Place E. Bataillon 34095 MONTPELLIER cedex 05 E mail: [EMAIL PROTECTED] Tel: +33(0)4.67.14.41.21 Fax: +33(0)4.67.14.41.90 ====================================================
mini-howto.pdf
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